Benzoic acid, 2-(chlorosulfonyl)-, methyl ester

HCID 117830CAS 26638-43-7

기본 정보

표준 SMILES: COC(=O)c1ccccc1S(=O)(=O)Cl
InChIKey: HUNUAFNLLYVTQD-UHFFFAOYSA-N
분자식: C8H7ClO4S
평균 분자량: 234.66 g/mol
단동위원소 질량: 233.97535738

이름 및 식별자

우선 이름: Benzoic acid, 2-(chlorosulfonyl)-, methyl ester
IUPAC: methyl 2-chlorosulfonylbenzoate
영어명: Methyl 2-(chlorosulfonyl)benzoate
분자식: C8H7ClO4S
분자량: 234.66

이름 및 동의어

Methyl 2-(chlorosulfonyl)benzoateBenzoic acid, 2-(chlorosulfonyl)-, methyl esterC6HZM8X6PKUNII-C6HZM8X6PKo-(Carbomethoxy)benzenesulfonyl chlorideDTXSID40672282-(Carbomethoxy)benzenesulfonyl chlorideMETHYL O-(CHLOROSULFONYL)BENZOATEO-(METHOXYCARBONYL)BENZENESULPHONYL CHLORIDEBENZOIC ACID, O-(CHLOROSULFONYL)-, METHYL ESTERRefChem:118327DTXCID4037534

이름 더 보기

CBCthyl 2-(chlorosulfonMethly 2-chlorosulfonylbenzoate2-Chlorosulfonyl methyl benzoateMethyl 2-(chorosulfonyl)benzoateMETHYL-O-(CHLOROSULFONYL)BENZOATEMethyl 2-(chlorosulphonyl)benzoateMethyl 2-(chlorosulfonyl)benzoateCBCO-CARBOMETHOXYBENZENESULFONYLCHLORIDE

631-087-926638-43-7methyl 2-chlorosulfonylbenzoateMFCD00009797methyl2-(chlorosulfonyl)benzoate2-carbomethoxybenzenesulfonyl chloride2-chlorosulfonylbenzoic acid methyl esterF0001-0876

데이터베이스 식별자

CAS: 26638-43-7
PubChem CID: 117830
DTXSID: DTXSID4067228
UNII: C6HZM8X6PK
EC Number: 631-087-9
Nikkaji: J236.179E

물성

구조 계산 물성

XLogP: 1.8
극성 표면적: 68.8 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 4
회전 가능 결합 수: 3
무거운 원자 수: 14
형식 전하: 0
복잡도: 306

물리화학적 성질

녹는점: 62 · 62-63 °C
끓는 점: 344.8 · 344.8±25.0 °C(Predicted)
밀도: 1.4452 · 1.4452 (estimate)
저장 조건: 2 · Inert atmosphere,2-8°C
물리적 상태: 결정질 분말 또는 덩어리
색상: 흰색에서 베이지색 또는 분홍색까지
수용성: 물과 반응
InChI: InChI=1S/C8H7ClO4S/c1-13-8(10)6-4-2-3-5-7(6)14(9,11)12/h2-5H,1H3
InChIKey: HUNUAFNLLYVTQD-UHFFFAOYSA-N
SMILES: C(OC)(=O)C1=CC=CC=C1S(Cl)(=O)=O
EPA: 2 · Benzoic acid, 2-(chlorosulfonyl)-, methyl ester (26638-43-7)

화학적 성질

white to beige or pink crystalline powder

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

P260, P264, P264+P265, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 44 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory InformationPMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.

Hazard Classes and CategoriesSkin Corr. 1B (100%)

안전 데이터

tsca: TSCA listed
ridadr: 3261
HS 번호: 29163990
risk_code: 34-29-14
hazard_code: C
safety_code: 45-36/37/39-30-26-22
포장분류: III
위험 등급: 8
위험 참고 사항: Corrosive

화학 및 산업

용도 및 제조

General Manufacturing InformationBenzoic acid, 2-(chlorosulfonyl)-, methyl ester: ACTIVE

응용 분야

용도Methyl 2-(chlorosulfonyl)benzoate can be used as intermediates in pharmaceuticals, saccharin, dyes, & pigments.

공급사50 곳

上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]

上海炎泽化工有限公司15345144255 19975051755 · [email protected]

上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]

爱斯特（成都）生物制药股份有限公司+86-28-85122536 85324413 · [email protected]

Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]

연결된 노트

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